Basic information
- CAS
50639-02-6- Standard SMILES
CCCCCCC(=O)CCC(C)C- InChIKey
JLTHSCDXCKBHCZ-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- 2-Methyl-5-undecanone
- IUPAC
- 2-methylundecan-5-one
- English name
- Isopentylhexyl ketone
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
2-METHYL-5-UNDECANONE5-Undecanone, 2-methyl-50639-02-6DTXSID50198683RefChem:88194DTXCID10121174JLTHSCDXCKBHCZ-UHFFFAOYSA-NISOPENTYLHEXYL KETONE2-methylundecan-5-oneSCHEMBL22443732AKOS006145669DB-287660
Show more names
Hexylisopentyl ketone
Database identifiers
- CAS
50639-02-6- PubChem CID
- 39750
- DTXSID
DTXSID50198683- Nikkaji
- J121.769K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -11.27 °C · -11.27°C (estimate)
- Boiling point
- 243.3 °C · 243.3°C (estimate)
- Density
- 0.8288 · 0.8288 (estimate)
- refractive index
- 1.4306 · 1.4306 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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